1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole

C23H28N2 — CID 70553530

IUPAC1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
SMILESCc1ccc(CCC(CCc2ccc(C)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C23H28N2/c1-19-3-7-21(8-4-19)11-13-23(17-25-16-15-24-18-25)14-12-22-9-5-20(2)6-10-22/h3-10,15-16,18,23H,11-14,17H2,1-2H3
InChIKeyROTPSJOKOIHSHA-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.38
Rot. Bonds8

About 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole

1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole (PubChem CID 70553530) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
PubChem CID70553530
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole
SMILESCc1ccc(CCC(CCc2ccc(C)cc2)Cn2ccnc2)cc1
InChIInChI=1S/C23H28N2/c1-19-3-7-21(8-4-19)11-13-23(17-25-16-15-24-18-25)14-12-22-9-5-20(2)6-10-22/h3-10,15-16,18,23H,11-14,17H2,1-2H3
InChIKeyROTPSJOKOIHSHA-UHFFFAOYSA-N
XLogP5.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-[4-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]butyl]imidazole
CID 70552453
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-[2,2-bis[(4-methylphenyl)sulfanyl]ethyl]imidazole
CID 13320315
1-[2-benzyl-5-(4-chlorophenyl)pentyl]imidazole
CID 70554395
1-[3-methyl-3-phenyl-2-(2-phenylethyl)butyl]imidazole
CID 70550713
1-[2-[2-(4-chlorophenyl)ethyl]-3-(2-methylphenyl)butyl]imidazole
CID 70552342
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole?
The IUPAC name of 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole (CID 70553530) is 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole.
What is the SMILES notation for 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole?
The canonical SMILES for 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole is Cc1ccc(CCC(CCc2ccc(C)cc2)Cn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole?
The InChIKey is ROTPSJOKOIHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-19-3-7-21(8-4-19)11-13-23(17-25-16-15-24-18-25)14-12-22-9-5-20(2)6-10-22/h3-10,15-16,18,23H,11-14,17H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole?
1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole has a molecular weight of 332.49 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)-2-[2-(4-methylphenyl)ethyl]butyl]imidazole is sourced from PubChem (CID 70553530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).